2-methoxy-N'-methylpropane-1,3-diamine

C5H14N2O — CID 20763150

IUPAC2-methoxy-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)OC
InChIInChI=1S/C5H14N2O/c1-7-4-5(3-6)8-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPJOPBAPIWKSZDI-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.82
Rot. Bonds4

About 2-methoxy-N'-methylpropane-1,3-diamine

2-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 20763150) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methylpropane-1,3-diamine
PubChem CID20763150
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-methoxy-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)OC
InChIInChI=1S/C5H14N2O/c1-7-4-5(3-6)8-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPJOPBAPIWKSZDI-UHFFFAOYSA-N
XLogP-0.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-methylpropane-1,3-diamine (CID 20763150) is 2-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-methylpropane-1,3-diamine is CNCC(CN)OC.
What is the InChIKey of 2-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is PJOPBAPIWKSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-7-4-5(3-6)8-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N'-methylpropane-1,3-diamine?
2-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20763150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).